2-(1,3-benzodioxol-5-yl)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide

Formula:C25H21N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-yl)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide
MolecularFormula	C25H21N3O3
Smiles	O=C(Cc(cc1)cc2c1OCO2)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C25H21N3O3/c29-25(13-19-10-11-23-24(12-19)31-17-30-23)27-26-14-20-16-28(15-18-6-2-1-3-7-18)22-9-5-4-8-21(20)22/h1-12,14,16H,13,15,17H2,(H,27,29)
InChIK	XPSQKACZSOVKDD-UHFFFAOYSA-N
TotalMolweight	411.46
Molweight	411.46
MonoisotopicMass	411.158292
CLogP	4.8408
CLogS	-5.375
H Acceptors	6
H Donors	1
TotalSurfaceArea	318.33
Relative PSA	0.19753
PolarSurfaceArea	64.85
Druglikeness	5.9349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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